4-(4-methylphenyl)-2-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]phthalazin-1-one

Systemtic Name: 4-(4-methylphenyl)-2-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]phthalazin-1-one Openeye Name: 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 4-(4-methylphenyl)-2-[3-oxo-3-(4-phenyl-1-piperazinyl)propyl]-1-phthalazinone IUPAC Name: 4-(4-methylphenyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]phthalazin-1-one Traditional Name: 2-[3-keto-3-(4-phenylpiperazino)propyl]-4-(p-tolyl)phthalazin-1-one Formula: C28H28N4O2 MolecularWeight: 452.54752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O2/c1-21-11-13-22(14-12-21)27-24-9-5-6-10-25(24)28(34)32(29-27)16-15-26(33)31-19-17-30(18-20-31)23-7-3-2-4-8-23/h2-14H,15-20H2,1H3